SCHEMBL5319673

SCHEMBL5319673

CC(=O)Nc1nc2ccc(Nc3ncc(-c4ccccc4)o3)cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.59
PIK3CA P42336 6/20 0.55
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
POLB P06746 2/20 0.52
NPC1 O15118 2/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
NFKB1 P19838 1/20 0.52
HTT P42858 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
IMPDH2 P12268 1/20 0.50
LDHA P00338 1/20 0.50
CYP3A4 P08684 1/20 0.49
DYRK1A Q13627 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5318214 0.90 PIK3CG (0.62) PIK3CGPIK3CAKDM4EMAPTRAB9A
SCHEMBL4880949 0.82 PIK3CG (0.69) PIK3CGPIK3CAKDM4EMAPTRAB9A
SCHEMBL5320437 0.80 IMPDH2 (0.57) IMPDH2FLT1FLT4KDR
SCHEMBL5316833 0.79 IMPDH2 (0.54) KDM4EMAPTRAB9AALDH1A1NPC1
SCHEMBL1651874 0.75 PIK3CG (1.00) PIK3CGPIK3CAKDM4EMAPTRAB9A
SCHEMBL5334357 0.74 KDR (0.69) IMPDH2FLT1FLT4KDR
SCHEMBL14466975 0.74 KDR (0.60) IMPDH2FLT1FLT4KDR
SCHEMBL5318419 0.71 KDR (0.56) IMPDH2FLT1FLT4KDR
SCHEMBL1651188 0.71 PIK3CG (0.80) PIK3CGPIK3CARAB9ANPC1SMN1; SMN2
SCHEMBL5319681 0.70 VCP (0.65) IMPDH2FLT1FLT4KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO claimed
WO-2007076161-A2 COMPOUNDS WITH THERAPEUTIC ACTIVITY MYRIAD GENETICS, INC (US) 2007-07-05 WO disclosed